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physics.comp-ph2023★ 16 cited
Discretized hierarchical equations of motion in mixed Liouville--Wigner space for two-dimensional vibrational spectroscopies of liquid water
Hideaki Takahashi, Yoshitaka Tanimura
A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrationa…
physics.comp-ph2021
Development of Kinetic Energy Density Functional Using Response Function Defined on the Energy Coordinate
Hideaki Takahashi
A kinetic energy functional Ee was developed within the framework of the density-functional theory (DFT) based on the energy electron density for the purpose of realizing the orbit…
physics.comp-ph2020
A Paradigm for Density Functional Theory Using Electron Distribution on the Energy Coordinate
Hideaki Takahashi
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives ri…